SCHEMBL29397485

SCHEMBL29397485

CC1(C)CCC[C@]2(C)[C@H]3CCCC[C@@H]3CC[C@@H]12

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.44
ALDH1A1 P00352 3/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 2/20 0.39
TSHR P16473 2/20 0.39
CYP2C19 P33261 2/20 0.39
UGT2B7 P16662 7/20 0.38
IDO1 P14902 1/20 0.36
CYP19A1 P11511 2/20 0.35
PTPN2 P17706 1/20 0.34
TRPA1 O75762 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7705544 0.75 PTPN1 (0.41) PTPN1ALDH1A1CYP3A4CYP2C9TSHR
SCHEMBL160063 0.75 PTPN1 (0.47) PTPN1ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL29379465 0.74 PTPN1 (0.40) PTPN1ALDH1A1CYP3A4CYP2C9TSHR
SCHEMBL6312982 0.74 PTPN1 (0.35) PTPN1CYP2C9CYP2C19UGT2B7PTPN2
SCHEMBL23308952 0.73 ALDH1A1 (0.35) ALDH1A1UGT2B7
SCHEMBL1237248 0.73 ALDH1A1 (0.35) ALDH1A1UGT2B7
SCHEMBL28655951 0.73 ALDH1A1 (0.35) ALDH1A1UGT2B7
SCHEMBL19849758 0.73 PTPN1 (0.39) PTPN1ALDH1A1CYP3A4CYP2C9TSHR
SCHEMBL14879667 0.71 IDO1 (0.48) PTPN1ALDH1A1CYP3A4CYP2C9TSHR
SCHEMBL11014352 0.71 CYP19A1 (0.42) CYP19A1MEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119768172-A Use of therapeutic agents having phosphodiesterase-7 inhibiting activity for the treatment and prevention of diseases associated with chronic fatigue, failure and/or intolerance to fatigue 米托迪治愈有限责任公司 2025-04-04 CN claimed
CN-117402799-A Recombinant cell, method for producing recombinant cell, and method for producing isoprene or terpene 积水化学工业株式会社 2024-01-16 CN disclosed
US-11851602-B2 Epoxide and fluorinated epoxide stabilizers for fluoroolefins THE CHEMOURS COMPANY FC, LLC (US) 2023-12-26 US disclosed
CN-110268058-B Recombinant cell, method for producing recombinant cell, and method for producing isoprene or terpene 积水化学工业株式会社 2023-11-21 CN disclosed
US-11261450-B2 Recombinant cell, method for producing recombinant cell, and method for producing isoprene or terpene SEKISUI CHEMICAL CO., LTD. (JP) 2022-03-01 US disclosed